6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H21N5O2 — CID 55242367

IUPAC6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCCN(CCN)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H21N5O2/c1-4-5-7-16(8-6-12)9-10(17)14(2)11(18)15(3)13-9/h4-8,12H2,1-3H3
InChIKeyIQDHXIWKYFSRFT-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.96
Rot. Bonds6

About 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 55242367) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID55242367
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCCCN(CCN)c1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H21N5O2/c1-4-5-7-16(8-6-12)9-10(17)14(2)11(18)15(3)13-9/h4-8,12H2,1-3H3
InChIKeyIQDHXIWKYFSRFT-UHFFFAOYSA-N
XLogP-0.96
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 55242367) is 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCCCN(CCN)c1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is IQDHXIWKYFSRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-4-5-7-16(8-6-12)9-10(17)14(2)11(18)15(3)13-9/h4-8,12H2,1-3H3.
What are the key properties of 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 255.32 g/mol, XLogP of -0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-aminoethyl(butyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55242367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).